[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone

C22H32N2OS — CID 119622558

IUPAC[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
SMILESCc1ccc(SC2(C(=O)N3CCC(NCC4CC4)CC3)CCCC2)cc1
InChIInChI=1S/C22H32N2OS/c1-17-4-8-20(9-5-17)26-22(12-2-3-13-22)21(25)24-14-10-19(11-15-24)23-16-18-6-7-18/h4-5,8-9,18-19,23H,2-3,6-7,10-16H2,1H3
InChIKeyPHWBXTCZKHGASU-UHFFFAOYSA-N
MW372.58 g/mol
LogP4.39
Rot. Bonds6

About [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone

[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone (PubChem CID 119622558) has the molecular formula C22H32N2OS and a molecular weight of 372.58 g/mol. Its IUPAC name is [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone.

Molecular Properties

Compound Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
PubChem CID119622558
Molecular FormulaC22H32N2OS
Molecular Weight372.58 g/mol
Exact Mass372.22
IUPAC Name[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone
SMILESCc1ccc(SC2(C(=O)N3CCC(NCC4CC4)CC3)CCCC2)cc1
InChIInChI=1S/C22H32N2OS/c1-17-4-8-20(9-5-17)26-22(12-2-3-13-22)21(25)24-14-10-19(11-15-24)23-16-18-6-7-18/h4-5,8-9,18-19,23H,2-3,6-7,10-16H2,1H3
InChIKeyPHWBXTCZKHGASU-UHFFFAOYSA-N
XLogP4.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.58
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(cyclopropylmethylamino)piperidin-1-yl]-[4-(4-methylphenyl)oxan-4-yl]methanone
CID 119623001
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methylcyclopropyl)methanone
CID 119622236
2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 122080822
[4-(cyclopropylmethylamino)piperidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119621694
N-[1-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]cyclohexyl]acetamide;hydrochloride
CID 119621740
[1-[(3-chlorophenyl)methyl]cyclopentyl]-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 119623522
[4-(cyclopropylmethylamino)piperidin-1-yl]-(2,2-dimethylcyclohexyl)methanone
CID 107181008
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,5-dimethylphenyl)sulfanylethanone
CID 119624562
[4-(cyclopropylmethylamino)piperidin-1-yl]-(1-methyl-3,4-dihydro-2H-naphthalen-1-yl)methanone
CID 119621878
[2-[4-(cyclopropylmethylamino)piperidine-1-carbonyl]phenyl]-(4-methylphenyl)methanone;hydrochloride
CID 119623132
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)sulfanylpropan-1-one
CID 119621716
3-[1-[4-(cyclopropylmethylamino)piperidin-1-yl]-1-oxopropan-2-yl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 119623423

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone?
The IUPAC name of [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone (CID 119622558) is [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone.
What is the SMILES notation for [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone?
The canonical SMILES for [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone is Cc1ccc(SC2(C(=O)N3CCC(NCC4CC4)CC3)CCCC2)cc1.
What is the InChIKey of [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone?
The InChIKey is PHWBXTCZKHGASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2OS/c1-17-4-8-20(9-5-17)26-22(12-2-3-13-22)21(25)24-14-10-19(11-15-24)23-16-18-6-7-18/h4-5,8-9,18-19,23H,2-3,6-7,10-16H2,1H3.
What are the key properties of [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone?
[4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone has a molecular weight of 372.58 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopropylmethylamino)piperidin-1-yl]-[1-(4-methylphenyl)sulfanylcyclopentyl]methanone is sourced from PubChem (CID 119622558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).